SCHEMBL8543641

SCHEMBL8543641

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC3 O15379 1/20 0.55
SPHK1 Q9NYA1 2/20 0.54
PTGER4 P35408 2/20 0.53
PTPN1 P18031 1/20 0.53
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SPHK2 Q9NRA0 1/20 0.50
POLB P06746 1/20 0.49
KDM2B Q8NHM5 1/20 0.48
CYP19A1 P11511 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8544655 0.90 PTGER4 (0.52) HDAC1HDAC2HDAC3PTGER4ALDH1A1
SCHEMBL8548137 0.89 ALDH1A1 (0.59) PTGER4ALDH1A1SMN1; SMN2
SCHEMBL8543631 0.89 SPHK1 (0.54) HDAC1HDAC2HDAC3SPHK1PTPN1
SCHEMBL8543635 0.89 SPHK1 (0.54) HDAC1HDAC2HDAC3SPHK1PTPN1
SCHEMBL8545355 0.89 ALDH1A1 (0.51) HDAC1HDAC2HDAC3PTGER4ALDH1A1
SCHEMBL21696906 0.86 PTGER4 (0.51) HDAC1HDAC2HDAC3PTGER4ALDH1A1
SCHEMBL8543317 0.85 F2 (0.58) PTGER4ALDH1A1SMN1; SMN2POLB
SCHEMBL8548694 0.83 PTGER4 (0.66) HDAC1HDAC2HDAC3PTGER4ALDH1A1
SCHEMBL8544624 0.83 PTGER4 (0.57) HDAC1HDAC2HDAC3PTGER4ALDH1A1
SCHEMBL8546458 0.83 ACHE (0.53) HDAC1HDAC2HDAC3PTGER4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed